SCHEMBL9754041

SCHEMBL9754041

CC1c2ccccc2-c2cccc([Si](C)(C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31338566 0.75 GPR3 (0.39) GPR3HTR2AHTR7HTR2BACHE
SCHEMBL358532 0.75 GPR3 (0.39) GPR3HTR2AHTR7HTR2BACHE
SCHEMBL8414397 0.73 GPR3 (0.38) GPR3SLC22A2SLC22A3CYP19A1HTR2A
SCHEMBL12429503 0.73 GPR3 (0.38) GPR3SLC22A2SLC22A3HTR2AHTR7
SCHEMBL29285278 0.73 ALDH1A1 (0.41) GPR3HTR2AHTR7HTR2BPOLB
SCHEMBL28807674 0.73 GPR3 (0.38) GPR3SLC22A2SLC22A3CYP19A1HTR2A
SCHEMBL30987013 0.73 ALDH1A1 (0.41) GPR3HTR2AHTR7HTR2BPOLB
SCHEMBL12179510 0.73 TYR (0.34) CYP19A1
SCHEMBL29641604 0.72 GPR3 (0.52) GPR3SLC22A2SLC22A3HTR2AHTR7
SCHEMBL40599 0.72 GPR3 (0.52) GPR3SLC22A2SLC22A3HTR2AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 WO disclosed